(6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione

C19H38O4Si — CID 134969780

IUPAC(6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C(C)=O
InChIInChI=1S/C19H38O4Si/c1-9-24(10-2,11-3)23-19(13(4)5)15(7)18(22)12-17(21)14(6)16(8)20/h13-15,18-19,22H,9-12H2,1-8H3/t14?,15-,18+,19+/m0/s1
InChIKeyMZLYSGCRGRWUNF-RDJWLFASSA-N
MW358.60 g/mol
LogP4.21
Rot. Bonds12

About (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione

(6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione (PubChem CID 134969780) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione.

Molecular Properties

Compound Name(6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione
PubChem CID134969780
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C(C)=O
InChIInChI=1S/C19H38O4Si/c1-9-24(10-2,11-3)23-19(13(4)5)15(7)18(22)12-17(21)14(6)16(8)20/h13-15,18-19,22H,9-12H2,1-8H3/t14?,15-,18+,19+/m0/s1
InChIKeyMZLYSGCRGRWUNF-RDJWLFASSA-N
XLogP4.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione?
The IUPAC name of (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione (CID 134969780) is (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione.
What is the SMILES notation for (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione?
The canonical SMILES for (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione is CC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H](O)CC(=O)C(C)C(C)=O.
What is the InChIKey of (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione?
The InChIKey is MZLYSGCRGRWUNF-RDJWLFASSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-9-24(10-2,11-3)23-19(13(4)5)15(7)18(22)12-17(21)14(6)16(8)20/h13-15,18-19,22H,9-12H2,1-8H3/t14?,15-,18+,19+/m0/s1.
What are the key properties of (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione?
(6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione has a molecular weight of 358.60 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8R)-6-hydroxy-3,7,9-trimethyl-8-triethylsilyloxydecane-2,4-dione is sourced from PubChem (CID 134969780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).